General Information of the Compound
| Compound ID |
CP0374748
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| Compound Name |
2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3-dihydro-1H-isoindol-1-one
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| Structure |
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| Formula |
C20H21NOS
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| Molecular Weight |
323.461
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S
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| InChI |
InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3
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| InChIKey |
NLSLEAPXLGIRCU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta